(2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid

C12H16N2O5S — CID 161339036

IUPAC(2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)N2CCNC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C12H16N2O5S/c1-19-9-2-4-10(5-3-9)20(17,18)14-7-6-13-8-11(14)12(15)16/h2-5,11,13H,6-8H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyVMKQZAVDIXAJKA-LLVKDONJSA-N
MW300.34 g/mol
LogP-0.26
Rot. Bonds4

About (2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid

(2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid (PubChem CID 161339036) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is (2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid
PubChem CID161339036
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name(2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)N2CCNC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C12H16N2O5S/c1-19-9-2-4-10(5-3-9)20(17,18)14-7-6-13-8-11(14)12(15)16/h2-5,11,13H,6-8H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyVMKQZAVDIXAJKA-LLVKDONJSA-N
XLogP-0.26
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid;hydrochloride
CID 161339035
methyl 1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylate
CID 10736622
(2R)-N-[(4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
CID 166637066
N-butoxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
CID 18675482
1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422053
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 120763094
methyl 2-[[1-(benzenesulfonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 78455363
(2S)-1-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid
CID 95862723
1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride
CID 71638752
4-benzyl-1-(4-methoxyphenyl)sulfonyl-1,4-diazepane-2-carboxylic acid
CID 22645039
(2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 18659875
1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742444

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid (CID 161339036) is (2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid is COc1ccc(S(=O)(=O)N2CCNC[C@@H]2C(=O)O)cc1.
What is the InChIKey of (2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid?
The InChIKey is VMKQZAVDIXAJKA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-19-9-2-4-10(5-3-9)20(17,18)14-7-6-13-8-11(14)12(15)16/h2-5,11,13H,6-8H2,1H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid?
(2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid has a molecular weight of 300.34 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid is sourced from PubChem (CID 161339036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).